(4S)-4-propan-2-ylhept-1-en-4-ol

C10H20O — CID 59911380

IUPAC(4S)-4-propan-2-ylhept-1-en-4-ol
SMILESC=CC[C@@](O)(CCC)C(C)C
InChIInChI=1S/C10H20O/c1-5-7-10(11,8-6-2)9(3)4/h5,9,11H,1,6-8H2,2-4H3/t10-/m1/s1
InChIKeyNEIMOGDHEBWJKE-SNVBAGLBSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About (4S)-4-propan-2-ylhept-1-en-4-ol

(4S)-4-propan-2-ylhept-1-en-4-ol (PubChem CID 59911380) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (4S)-4-propan-2-ylhept-1-en-4-ol.

Molecular Properties

Compound Name(4S)-4-propan-2-ylhept-1-en-4-ol
PubChem CID59911380
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(4S)-4-propan-2-ylhept-1-en-4-ol
SMILESC=CC[C@@](O)(CCC)C(C)C
InChIInChI=1S/C10H20O/c1-5-7-10(11,8-6-2)9(3)4/h5,9,11H,1,6-8H2,2-4H3/t10-/m1/s1
InChIKeyNEIMOGDHEBWJKE-SNVBAGLBSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-ylhept-1-en-4-ol?
The IUPAC name of (4S)-4-propan-2-ylhept-1-en-4-ol (CID 59911380) is (4S)-4-propan-2-ylhept-1-en-4-ol.
What is the SMILES notation for (4S)-4-propan-2-ylhept-1-en-4-ol?
The canonical SMILES for (4S)-4-propan-2-ylhept-1-en-4-ol is C=CC[C@@](O)(CCC)C(C)C.
What is the InChIKey of (4S)-4-propan-2-ylhept-1-en-4-ol?
The InChIKey is NEIMOGDHEBWJKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-10(11,8-6-2)9(3)4/h5,9,11H,1,6-8H2,2-4H3/t10-/m1/s1.
What are the key properties of (4S)-4-propan-2-ylhept-1-en-4-ol?
(4S)-4-propan-2-ylhept-1-en-4-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-ylhept-1-en-4-ol is sourced from PubChem (CID 59911380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).